Suppr超能文献

吸收边界条件对跃迁路径时间统计的影响。

The influence of absorbing boundary conditions on the transition path time statistics.

机构信息

KU Leuven, Institute for Theoretical Physics, Celestijnenlaan 200D, B-3001 Leuven, Belgium.

出版信息

Phys Chem Chem Phys. 2018 Oct 17;20(40):25676-25682. doi: 10.1039/c8cp04322a.

Abstract

We derive an analytical expression for the transition path time (TPT) distribution for a one-dimensional particle crossing a parabolic barrier. The solution is expressed in terms of the eigenfunctions and eigenvalues of the associated Fokker-Planck equation. The particle exhibits anomalous dynamics generated by a power-law memory kernel, which includes memoryless Markovian dynamics as a limiting case. Our result takes into account absorbing boundary conditions, extending existing results obtained for free boundaries. We show that TPT distributions obtained from numerical simulations are in excellent agreement with analytical results, while the typically employed free boundary conditions lead to a systematic overestimation of the barrier height. These findings may be useful in the analysis of experimental results on the transition path time. A web tool to perform this analysis is freely available.

摘要

我们推导出了一维粒子穿过抛物线势垒的跃迁路径时间(TPT)分布的解析表达式。该解以相关福克-普朗克方程的本征函数和本征值表示。粒子表现出由幂律记忆核产生的反常动力学,其中包括作为极限情况的无记忆马尔可夫动力学。我们的结果考虑了吸收边界条件,扩展了以前针对自由边界得到的结果。我们表明,从数值模拟获得的 TPT 分布与解析结果非常吻合,而通常采用的自由边界条件会导致对势垒高度的系统高估。这些发现可能对分析跃迁路径时间的实验结果有用。一个执行此分析的网络工具是免费提供的。

文献AI研究员

20分钟写一篇综述,助力文献阅读效率提升50倍。

立即体验

用中文搜PubMed

大模型驱动的PubMed中文搜索引擎

马上搜索

文档翻译

学术文献翻译模型,支持多种主流文档格式。

立即体验